TMR-S4

Type : HaloTag-ligand,Sulfur Compound,Sulfonamide,Xanthene

Chemical_Nomenclature : [9-[2-carboxy-5-[2-[2-[4-(methylsulfonylamino)butoxy]ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium

Canonical SMILES : CN(C)c1ccc2c(c1)OC3=CC(=[N+](C)C)C=CC3=C2c4cc(ccc4C(=O)O)C(=O)NCCOCCOCCCCNS(=O)(=O)C

InChI : InChI=1S\/C34H42N4O8S\/c1-37(2)24-9-12-27-30(21-24)46-31-22-25(38(3)4)10-13-28(31)32(27)29-20-23(8-11-26(29)34(40)41)33(39)35-15-17-45-19-18-44-16-7-6-14-36-47(5,42)43\/h8-13,20-22,36H,6-7,14-19H2,1-5H3,(H-,35,39,40,41)\/p+1

InChIKey : DSUCSFUEKBFNJW-UHFFFAOYSA-O

Other name(s) : IYU,[9-[2-carboxy-5-[2-[2-[4-(methylsulfonylamino)butoxy]ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium

MW : 667.79

Formula : C34H43N4O8S

CAS_number :

PubChem :

UniChem : DSUCSFUEKBFNJW-UHFFFAOYSA-O

IUPHAR :

Wikipedia :

Families : TMR-S4 ligand of proteins in family: Haloalkane_dehalogenase-HLD2

Stucture : 7ZIX X-ray structure of the haloalkane dehalogenase HaloTag7 bound to a butylmethanesulfonamide tetramethylrhodamine ligand (TMR-S4)

Protein : rhoso-halo1